N-[1-(1-benzothiophen-3-yl)-2-phenylethyl]propan-1-amine

C19H21NS — CID 43497218

IUPACN-[1-(1-benzothiophen-3-yl)-2-phenylethyl]propan-1-amine
SMILESCCCNC(Cc1ccccc1)c1csc2ccccc12
InChIInChI=1S/C19H21NS/c1-2-12-20-18(13-15-8-4-3-5-9-15)17-14-21-19-11-7-6-10-16(17)19/h3-11,14,18,20H,2,12-13H2,1H3
InChIKeyVGUZOYFFYWACIP-UHFFFAOYSA-N
MW295.45 g/mol
LogP5.18
Rot. Bonds6

About N-[1-(1-benzothiophen-3-yl)-2-phenylethyl]propan-1-amine

N-[1-(1-benzothiophen-3-yl)-2-phenylethyl]propan-1-amine (PubChem CID 43497218) has the molecular formula C19H21NS and a molecular weight of 295.45 g/mol. Its IUPAC name is N-[1-(1-benzothiophen-3-yl)-2-phenylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(1-benzothiophen-3-yl)-2-phenylethyl]propan-1-amine
PubChem CID43497218
Molecular FormulaC19H21NS
Molecular Weight295.45 g/mol
Exact Mass295.14
IUPAC NameN-[1-(1-benzothiophen-3-yl)-2-phenylethyl]propan-1-amine
SMILESCCCNC(Cc1ccccc1)c1csc2ccccc12
InChIInChI=1S/C19H21NS/c1-2-12-20-18(13-15-8-4-3-5-9-15)17-14-21-19-11-7-6-10-16(17)19/h3-11,14,18,20H,2,12-13H2,1H3
InChIKeyVGUZOYFFYWACIP-UHFFFAOYSA-N
XLogP5.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.45
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzothiophen-3-yl)-N-propylpentan-1-amine
CID 43497176
1-(1-benzothiophen-3-yl)-3,3-dimethyl-N-propylbutan-1-amine
CID 43497197
1-(1-benzothiophen-3-yl)-N-propylhex-4-yn-1-amine
CID 105037075
N-[1-(1-benzothiophen-3-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]propan-1-amine
CID 104997505
1-(1-benzothiophen-3-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 115860702
1-(1-benzothiophen-3-yl)-N-ethylbutan-1-amine
CID 43492291
1-(1-benzothiophen-3-yl)-N-propylprop-2-yn-1-amine
CID 104995348
N-[(1S)-1,2-diphenylethyl]propan-1-amine
CID 36689865
N-[1-(2-chlorophenyl)-2-phenylethyl]propan-1-amine
CID 63412426
N-[1-benzothiophen-3-yl-(4-fluorophenyl)methyl]propan-1-amine
CID 43497207
methyl 2-(1-benzothiophen-3-yl)-2-(propylamino)acetate
CID 62699634
ethyl 2-(1-benzothiophen-3-yl)-2-(propylamino)acetate
CID 62699635

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzothiophen-3-yl)-2-phenylethyl]propan-1-amine?
The IUPAC name of N-[1-(1-benzothiophen-3-yl)-2-phenylethyl]propan-1-amine (CID 43497218) is N-[1-(1-benzothiophen-3-yl)-2-phenylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(1-benzothiophen-3-yl)-2-phenylethyl]propan-1-amine?
The canonical SMILES for N-[1-(1-benzothiophen-3-yl)-2-phenylethyl]propan-1-amine is CCCNC(Cc1ccccc1)c1csc2ccccc12.
What is the InChIKey of N-[1-(1-benzothiophen-3-yl)-2-phenylethyl]propan-1-amine?
The InChIKey is VGUZOYFFYWACIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NS/c1-2-12-20-18(13-15-8-4-3-5-9-15)17-14-21-19-11-7-6-10-16(17)19/h3-11,14,18,20H,2,12-13H2,1H3.
What are the key properties of N-[1-(1-benzothiophen-3-yl)-2-phenylethyl]propan-1-amine?
N-[1-(1-benzothiophen-3-yl)-2-phenylethyl]propan-1-amine has a molecular weight of 295.45 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzothiophen-3-yl)-2-phenylethyl]propan-1-amine is sourced from PubChem (CID 43497218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).